# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CuH2O2Br
_audit_block_doi                 10.5517/ccdc.csd.cc1p5fpz
_database_code_depnum_ccdc_archive 'CCDC 1554361'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.inorgchem.7b00596 2017
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2018-01-25 downloaded from the CCDC.
;
#===============================================================================
# 5. CHEMICAL DATA

_chemical_formula_sum            'C4 H4 Br2 Cu N4 O2 Pt'
_chemical_formula_moiety         'C4 H4 Br2 Cu N4 O2 Pt'
_chemical_formula_weight         555.7644804
#=============================================================
# 6. CRYSTAL DATA

_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

#------------------------------------------------
_cell_length_a                   7.32750(10)
_cell_length_b                   10.5863(2)
_cell_length_c                   7.16180(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     555.549(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    4186
_cell_measurement_theta_min      2.84
_cell_measurement_theta_max      46.86
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.086

_exptl_crystal_density_diffrn    3.315
_exptl_crystal_density_meas      ?
# Non-dispersive F(000): 
_exptl_crystal_F_000             490
_exptl_absorpt_coefficient_mu    21.661
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   '(Sheldrick , 1996)'
_shelx_estimated_absorpt_T_min   0.145
_shelx_estimated_absorpt_T_max   0.257
_exptl_absorpt_correction_T_min  0.5533
_exptl_absorpt_correction_T_max  0.7513

#=============================================================================
# 7. EXPERIMENTAL DATA

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_method       'φ and ω scans'
_diffrn_ambient_temperature      299(2)
_diffrn_reflns_number            4612
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_theta_min         2.844
_diffrn_reflns_theta_max         36.293
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11


#==========================================================================
# 8. REFINEMENT DATA


# The values actually used during refinement 
# The I/u(I) cutoff below was used for refinement as 
# well as the _gt R-factors: 
_reflns_number_total             793
_reflns_number_gt                785
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0239P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0040(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         793
_refine_ls_number_parameters     28
_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0175
_refine_ls_R_factor_gt           0.0173
_refine_ls_wR_factor_ref         0.0424
_refine_ls_wR_factor_gt          0.0423
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

_refine_diff_density_max         1.423
_refine_diff_density_min         -1.085

#========================================================== 
# 9. General computing 

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2013)'
_computing_cell_refinement       'Bruker SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  
'SHELXL-2014/7 (Sheldrick, 2015), Shelxle (Hübschle et al., 2011)'


#===================================================================
# 10.  ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.5000 0.5000 0.5000 0.01489(7) Uani 1 8 d S T P . .
Br1 Br 0.5000 0.73372(5) 0.5000 0.03564(12) Uani 1 4 d S T P . .
Cu1 Cu 0.0000 0.5000 0.0000 0.01728(12) Uani 1 8 d S T P . .
O1 O 0.0000 0.2729(6) 0.0000 0.077(3) Uani 1 4 d S T P . .
N1 N 0.1923(4) 0.5000 0.1940(3) 0.0258(5) Uani 1 2 d S T P . .
C1 C 0.3052(4) 0.5000 0.3045(4) 0.0215(5) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.000(3) 9_666 ?
Pt1 C1 2.000(3) 10_556 ?
Pt1 C1 2.000(3) 2_665 ?
Pt1 C1 2.000(3) . ?
Pt1 Br1 2.4742(6) 9_666 ?
Pt1 Br1 2.4742(6) . ?
Br1 Br1 3.67993(12) 6_665 ?
Cu1 N1 1.979(2) . ?
Cu1 N1 1.979(2) 9_565 ?
Cu1 N1 1.979(2) 10 ?
Cu1 N1 1.979(2) 2_565 ?
Cu1 O1 2.404(6) 9_565 ?
Cu1 O1 2.404(6) . ?
O1 O1 3.6958(16) 6 ?
N1 C1 1.145(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C1 91.12(15) 9_666 10_556 ?
C1 Pt1 C1 88.88(15) 9_666 2_665 ?
C1 Pt1 C1 180.0 10_556 2_665 ?
C1 Pt1 C1 180.0 9_666 . ?
C1 Pt1 C1 88.88(15) 10_556 . ?
C1 Pt1 C1 91.12(15) 2_665 . ?
C1 Pt1 Br1 90.0 9_666 9_666 ?
C1 Pt1 Br1 90.0 10_556 9_666 ?
C1 Pt1 Br1 90.0 2_665 9_666 ?
C1 Pt1 Br1 90.0 . 9_666 ?
C1 Pt1 Br1 90.0 9_666 . ?
C1 Pt1 Br1 90.0 10_556 . ?
C1 Pt1 Br1 90.0 2_665 . ?
C1 Pt1 Br1 90.0 . . ?
Br1 Pt1 Br1 180.0 9_666 . ?
Pt1 Br1 Br1 95.374(17) . 6_665 ?
N1 Cu1 N1 180.0 . 9_565 ?
N1 Cu1 N1 89.17(16) . 10 ?
N1 Cu1 N1 90.83(15) 9_565 10 ?
N1 Cu1 N1 90.83(15) . 2_565 ?
N1 Cu1 N1 89.17(16) 9_565 2_565 ?
N1 Cu1 N1 180.0 10 2_565 ?
N1 Cu1 O1 90.0 . 9_565 ?
N1 Cu1 O1 90.0 9_565 9_565 ?
N1 Cu1 O1 90.0 10 9_565 ?
N1 Cu1 O1 90.0 2_565 9_565 ?
N1 Cu1 O1 90.0 . . ?
N1 Cu1 O1 90.0 9_565 . ?
N1 Cu1 O1 90.0 10 . ?
N1 Cu1 O1 90.0 2_565 . ?
O1 Cu1 O1 180.0 9_565 . ?
Cu1 O1 O1 97.55(19) . 6 ?
C1 N1 Cu1 179.2(3) . . ?
N1 C1 Pt1 179.3(3) . . ?





# start Validation Reply Form
_vrf_CHEMW01_CuH2O2Br            
;
PROBLEM: The difference between the given and expected weight for
RESPONSE: Hydrogen atoms could not be found.
;
_vrf_PLAT041_CuH2O2Br            
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ     Please Check
RESPONSE: Hydrogen atoms could not be found.
;
_vrf_PLAT043_CuH2O2Br            
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..       1.25 Check 
RESPONSE: Hydrogen atoms could not be found.
;
_vrf_PLAT242_CuH2O2Br            
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Cu1 Check 
RESPONSE: It is known to be Cu.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CuH2O2Cl2
_audit_block_doi                 10.5517/ccdc.csd.cc1p5fr1
_database_code_depnum_ccdc_archive 'CCDC 1554363'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.inorgchem.7b00596 2017
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2018-01-25 downloaded from the CCDC.
;
#===============================================================================
# 5. CHEMICAL DATA

_chemical_formula_sum            'C4 Cl2 Cu N4 O2 Pt'
_chemical_formula_moiety         'C4 Cl2 Cu N4 O2 Pt'
_chemical_formula_weight         465.61
_chemical_name_common            ?
#=============================================================
# 6. CRYSTAL DATA

_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_H-M_alt        'C m m m'
_space_group_name_Hall           '-C 2 2'

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'

#------------------------------------------------

_cell_length_a                   7.2595(6)
_cell_length_b                   10.1348(10)
_cell_length_c                   7.2490(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     533.33(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3945
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      36.39

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.076
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.035

_exptl_crystal_density_diffrn    2.899
_exptl_crystal_density_meas      ?

# Non-dispersive F(000): 
_exptl_crystal_F_000             418
_exptl_absorpt_coefficient_mu    15.572
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   '(Sheldrick , 1996)'
_shelx_estimated_absorpt_T_min   0.384
_shelx_estimated_absorpt_T_max   0.612
_exptl_absorpt_correction_T_min  0.227793
_exptl_absorpt_correction_T_max  0.747144

#=============================================================================
# 7. EXPERIMENTAL DATA

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_method       'φ and ω scans'
_diffrn_ambient_temperature      296(2)

_diffrn_reflns_number            493

_diffrn_reflns_av_R_equivalents  ?

_diffrn_reflns_theta_min         2.810
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_full        25.242

_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       10

#==========================================================================
# 8. REFINEMENT DATA


# The values actually used during refinement 
# The I/u(I) cutoff below was used for refinement as 
# well as the _gt R-factors: 
_reflns_number_total             493
_reflns_number_gt                465
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0471P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         493
_refine_ls_number_parameters     28
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.0749
_refine_ls_wR_factor_gt          0.0734
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
#========================================================== 
# 9. General computing 

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2013)'
_computing_cell_refinement       'Bruker SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'


#===================================================================
# 10.  ATOMIC COORDINATES AND THERMAL PARAMETERS
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.000000 0.500000 0.500000 0.0160(2) Uani 1 8 d S T P . .
O1 O 0.500000 0.2644(13) 0.000000 0.078(5) Uani 1 4 d S T P . .
C1 C 0.1963(11) 0.500000 0.3030(12) 0.0218(16) Uani 1 2 d S T P . .
N1 N 0.3064(10) 0.500000 0.1932(11) 0.0262(15) Uani 1 2 d S T P . .
Cu1 Cu 0.500000 0.500000 0.000000 0.0208(9) Uani 1 8 d S T P . .
Cl1 Cl 0.000000 0.2703(4) 0.500000 0.0397(8) Uani 1 4 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.017(7) 10_556 ?
Pt1 C1 2.017(7) 2_565 ?
Pt1 C1 2.017(7) . ?
Pt1 C1 2.017(7) 9_566 ?
Pt1 Cl1 2.328(4) . ?
Pt1 Cl1 2.328(4) 9_566 ?
O1 Cu1 2.387(13) . ?
O1 O1 10.49(3) 6_665 ?
C1 N1 1.128(10) . ?
N1 Cu1 1.984(6) . ?
Cl1 Cl1 14.599(5) 6_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C1 180.0 10_556 2_565 ?
C1 Pt1 C1 90.1(5) 10_556 . ?
C1 Pt1 C1 89.9(5) 2_565 . ?
C1 Pt1 C1 89.9(5) 10_556 9_566 ?
C1 Pt1 C1 90.1(5) 2_565 9_566 ?
C1 Pt1 C1 180.0 . 9_566 ?
C1 Pt1 Cl1 90.0 10_556 . ?
C1 Pt1 Cl1 90.000 2_565 . ?
C1 Pt1 Cl1 90.0 . . ?
C1 Pt1 Cl1 90.000 9_566 . ?
C1 Pt1 Cl1 90.000 10_556 9_566 ?
C1 Pt1 Cl1 90.000 2_565 9_566 ?
C1 Pt1 Cl1 90.000 . 9_566 ?
C1 Pt1 Cl1 90.000 9_566 9_566 ?
Cl1 Pt1 Cl1 180.0 . 9_566 ?
Cu1 O1 O1 20.24(5) . 6_665 ?
N1 C1 Pt1 179.8(10) . . ?
C1 N1 Cu1 180.0(10) . . ?
N1 Cu1 N1 89.8(5) . 10 ?
N1 Cu1 N1 90.2(5) . 2_665 ?
N1 Cu1 N1 180.0 10 2_665 ?
N1 Cu1 N1 180.0 . 9_665 ?
N1 Cu1 N1 90.2(5) 10 9_665 ?
N1 Cu1 N1 89.8(5) 2_665 9_665 ?
N1 Cu1 O1 90.000 . 9_665 ?
N1 Cu1 O1 90.000 10 9_665 ?
N1 Cu1 O1 90.000 2_665 9_665 ?
N1 Cu1 O1 90.000 9_665 9_665 ?
N1 Cu1 O1 90.000 . . ?
N1 Cu1 O1 90.0 10 . ?
N1 Cu1 O1 90.0 2_665 . ?
N1 Cu1 O1 90.000 9_665 . ?
O1 Cu1 O1 180.0 9_665 . ?
Pt1 Cl1 Cl1 48.24(2) . 6_665 ?

_refine_diff_density_max         1.767
_refine_diff_density_min         -4.089
_refine_diff_density_rms         0.323




# start Validation Reply Form
_vrf_PLAT213_CuH2O2Cl2           
;
PROBLEM: Atom Pt1             has ADP max/min Ratio .....        3.2 prolat
RESPONSE: The crystal was twinned and as much data as possible was collected.
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_vrf_PLAT242_CuH2O2Cl2           
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PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Cu1 Check 
RESPONSE: It is known to be Cu.
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_vrf_PLAT911_CuH2O2Cl2           
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PROBLEM: Missing # FCF Refl Between THmin & STh/L=  0.600          2 Report
RESPONSE: Completeness is within acceptable tolerance. i.e. greater than 99.5%
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